Table 4.
Estimated free energy binding of molecular docking between alkaloids identified in aerial parts of R. splendens and cholinesterases (AChE and BuChE). Values are expressed in kcal/mol.
| Alkaloid | AChE *a | BuChE *b |
|---|---|---|
| 11-hydroxyvittatine (20a) | −8.43 | −9.03 |
| lycorine (9) | −8.82 *c | −8.94 |
| 8-O-demethylmaritidine (16) | −8.74 *d | −8.93 |
| hamayne (20b) | −8.28 | −8.54 |
| deacetylcantabricine (17) | −7.90 | −8.43 |
| haemanthamine (18a) | −8.80 | −8.34 |
| galanthamine (28) | −9.55 *c | −8.23 *c |
| epimacronine (25) | −9.36 *c | −7.63 |
| tazettine (24) | −8.66 *c | −7.87 |
| O-methyltazettine (23) | −8.54 | −7.87 |
| 11,12-dehydroanhydrolycorine (4) | −8.41 | −7.44 |
| galanthindole (37) | −7.81 | −7.41 |
| trisphaeridine (34) | −7.38 | −7.27 |
| dihydrobicolorine (35) | −7.33 | −7.38 |
| ismine (36) | −6.78 | −7.08 |
*a PBD code: 1DX6; *b PBD code: 4BDS; *c Cortes et al., 2015; *d Cortes et al., 2017.